SCHEMBL12733402

SCHEMBL12733402

CN(OCc1ccccc1)C(=O)[C@@H]1CCCN1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
CPT2 P23786 1/20 0.47
CPT1A P50416 1/20 0.47
CHRNB2 P17787 3/20 0.45
CHRNA7 P36544 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNA5 P30532 2/20 0.45
FKBP1A P62942 6/20 0.45
EPHX2 P34913 1/20 0.43
SPHK1 Q9NYA1 2/20 0.42
BCHE P06276 1/20 0.42
PREP P48147 1/20 0.42
SPHK2 Q9NRA0 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13099455 0.81 FKBP1A (0.60) CHRNB2CHRNA7CHRNA4CHRNA5FKBP1A
SCHEMBL12869918 0.81 FKBP1A (0.60) CHRNB2CHRNA7CHRNA4CHRNA5FKBP1A
SCHEMBL26291061 0.81 FKBP1A (0.60) CHRNB2CHRNA7CHRNA4CHRNA5FKBP1A
SCHEMBL12733405 0.81 CYP3A4 (0.38) SIGMAR1CPT2CPT1ACHRNB2CHRNA7
SCHEMBL8393984 0.80 SIGMAR1 (0.39) SIGMAR1FKBP1AEPHX2
SCHEMBL12733462 0.77 CPT2 (0.49) CPT2CPT1ACHRNB2CHRNA7CHRNA4
SCHEMBL24710613 0.76 FKBP1A (0.65) SIGMAR1FKBP1APOLB
SCHEMBL2604734 0.75 BCHE (0.36) CPT2CPT1ACHRNB2CHRNA7CHRNA4
SCHEMBL22608398 0.75 FKBP1A (0.48) SIGMAR1CPT2CPT1ACHRNB2CHRNA7
SCHEMBL20072928 0.74 SIGMAR1 (0.48) SIGMAR1CPT2CPT1AFKBP1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 SIGMAR1 506/4885CPT2 4501/4885CPT1A 4699/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 SIGMAR1 661/4885CPT2 4578/4885CPT1A 4650/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.